General Information of the Compound
| Compound ID |
CP0428175
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| Compound Name |
2-[3-(3-Phenylpropoxy)propyl]-1,2,3,4-tetrahydro-isoquinoline
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| Structure |
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| Formula |
C21H27NO
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| Molecular Weight |
309.453
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| Canonical SMILES |
C(COCCCc1ccccc1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C21H27NO/c1-2-8-19(9-3-1)10-6-16-23-17-7-14-22-15-13-20-11-4-5-12-21(20)18-22/h1-5,8-9,11-12H,6-7,10,13-18H2
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| InChIKey |
DVQVPXDBTRCKQH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound